4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-methylbenzamide

C16H14BrF2NO2 — CID 145388897

IUPAC4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(OC(C)(F)F)cc2)ccc1Br
InChIInChI=1S/C16H14BrF2NO2/c1-10-9-11(3-8-14(10)17)15(21)20-12-4-6-13(7-5-12)22-16(2,18)19/h3-9H,1-2H3,(H,20,21)
InChIKeyKJHKESWBBYDFRE-UHFFFAOYSA-N
MW370.19 g/mol
LogP5.00
Rot. Bonds4

About 4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-methylbenzamide

4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-methylbenzamide (PubChem CID 145388897) has the molecular formula C16H14BrF2NO2 and a molecular weight of 370.19 g/mol. Its IUPAC name is 4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-methylbenzamide
PubChem CID145388897
Molecular FormulaC16H14BrF2NO2
Molecular Weight370.19 g/mol
Exact Mass369.02
IUPAC Name4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(OC(C)(F)F)cc2)ccc1Br
InChIInChI=1S/C16H14BrF2NO2/c1-10-9-11(3-8-14(10)17)15(21)20-12-4-6-13(7-5-12)22-16(2,18)19/h3-9H,1-2H3,(H,20,21)
InChIKeyKJHKESWBBYDFRE-UHFFFAOYSA-N
XLogP5.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.19
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-methyl-N-(4-methylphenyl)benzamide
CID 113396750
4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-pyridin-3-ylbenzamide
CID 145388784
4-bromo-N-[4-(cyanomethoxy)phenyl]-3-methylbenzamide
CID 115769505
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 710659
3-bromo-4-methyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340213
4-bromo-N-(3-methoxyphenyl)-3-methylbenzamide
CID 112705642
4-bromo-N-(3-bromo-5-methylphenyl)-3-methylbenzamide
CID 107583817
3-bromo-N-[4-[(3-bromo-4-tert-butylbenzoyl)amino]phenyl]-4-tert-butylbenzamide
CID 3950836
3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 3493450
N-(4-bromo-3-methylphenyl)-3-chloro-4-methylbenzamide
CID 2296154
3-amino-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide
CID 43436950

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-methylbenzamide?
The IUPAC name of 4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-methylbenzamide (CID 145388897) is 4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-methylbenzamide.
What is the SMILES notation for 4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-methylbenzamide?
The canonical SMILES for 4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-methylbenzamide is Cc1cc(C(=O)Nc2ccc(OC(C)(F)F)cc2)ccc1Br.
What is the InChIKey of 4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-methylbenzamide?
The InChIKey is KJHKESWBBYDFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF2NO2/c1-10-9-11(3-8-14(10)17)15(21)20-12-4-6-13(7-5-12)22-16(2,18)19/h3-9H,1-2H3,(H,20,21).
What are the key properties of 4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-methylbenzamide?
4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-methylbenzamide has a molecular weight of 370.19 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(1,1-difluoroethoxy)phenyl]-3-methylbenzamide is sourced from PubChem (CID 145388897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).